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Determination of the structure of weakly ordered films according to x-ray diffraction data
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Determination of the structure of weakly ordered films according to x-ray diffraction data
Annotation
PII
S0023476124030163-1
Publication type
Article
Status
Published
Authors
S. B. Astaf’ev 
Affiliation: Shubnikov Institute of Crystallography of Kurchatov Complex of Crystallography and Photonics of NRC “Kurchatov Institute”
Edition
Volume 69 Issue number 3
Pages
505-510
Abstract
A method for searching for parameters of structural models of weakly ordered thin films based on X-ray diffraction data containing a small number of reflexes is proposed. The developed method makes it possible to narrow down the number of possible structural models, despite the small number of interference maxima, determine the parameters of possible elementary cells and index the corresponding peaks on diffractograms. It is shown how the use of a priori data makes it possible to obtain physically adequate solutions. The method of determining structural parameters is demonstrated by analyzing an experimental curve containing only 3 diffraction peaks (maxima). The corresponding search algorithms are implemented within the framework of the analytical software package BARD (Basic Analisys of xRay Diffraction).
Received
04.09.2024
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References

1. Rietveld H. // J. Appl. Cryst. 1969. V. 2. P. 65. http://doi.org/10.1107/S0021889869006558

2. Астафьев С.Б., Янусова Л.Г. // Кристаллография. 2022. Т. 67. № 3. С. 491. http://doi.org/10.31857/S0023476122030031

3. Астафьев С.Б., Янусова Л.Г. // Кристаллография. 2012. Т. 57. № 1. С. 141.

4. Maiorova L., Konovalov O., Yanusova L. et al. // International Conference on Porphyrins and Phthalocyanines (ICPP-11) 28.06–3.07.2021. USA. Book of Abstracts. P. 277. http://doi.org/10.13140/RG.2.2.29250.91846

5. Гусев А.И. Наноматериалы, наноструктуры, нанотехнологии. М.: Наука–Физматлит, 2007. 416 с.

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